1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide

C20H21F3N6O2 — CID 90449369

IUPAC1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
SMILESCNC(=O)N1CCC2(C1)CN(C(=O)Nc1cnc(C)cn1)c1ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H21F3N6O2/c1-12-8-26-16(9-25-12)27-18(31)29-11-19(5-6-28(10-19)17(30)24-2)14-7-13(20(21,22)23)3-4-15(14)29/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,24,30)(H,26,27,31)
InChIKeyNFUQUFXQUMKAPW-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.14
Rot. Bonds1

About 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide

1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide (PubChem CID 90449369) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide.

Molecular Properties

Compound Name1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
PubChem CID90449369
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide
SMILESCNC(=O)N1CCC2(C1)CN(C(=O)Nc1cnc(C)cn1)c1ccc(C(F)(F)F)cc12
InChIInChI=1S/C20H21F3N6O2/c1-12-8-26-16(9-25-12)27-18(31)29-11-19(5-6-28(10-19)17(30)24-2)14-7-13(20(21,22)23)3-4-15(14)29/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,24,30)(H,26,27,31)
InChIKeyNFUQUFXQUMKAPW-UHFFFAOYSA-N
XLogP3.14
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
The IUPAC name of 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide (CID 90449369) is 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide.
What is the SMILES notation for 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
The canonical SMILES for 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide is CNC(=O)N1CCC2(C1)CN(C(=O)Nc1cnc(C)cn1)c1ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
The InChIKey is NFUQUFXQUMKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-12-8-26-16(9-25-12)27-18(31)29-11-19(5-6-28(10-19)17(30)24-2)14-7-13(20(21,22)23)3-4-15(14)29/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,24,30)(H,26,27,31).
What are the key properties of 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide?
1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide has a molecular weight of 434.42 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)spiro[2H-indole-3,3'-pyrrolidine]-1,1'-dicarboxamide is sourced from PubChem (CID 90449369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).